Geometry & MOs

Info

ID:	440804
PubChem CID:	135231554
Reduced:	S2N3C13H27 (1)
Stoich.:	A2B3C13D27 (1)
Weight, g/mol:	466.14749
ΔH_f, kcal/mol:	-11.74
Dipole, Da:	1.62
IP(EA), eV:	-8.44(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[3-[4-[4-(2-fluoropropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]benzoate

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)SN2CCN(CC2)SC

DOS

IR

Vibrations